4-chloranyl-N-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide

Systemtic Name: 4-chloranyl-N-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide Openeye Name: 4-chloro-N-[[2-(m-tolyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide CAS Name: 4-chloro-N-[[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]butanamide IUPAC Name: 4-chloro-N-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide Traditional Name: 4-chloro-N-[[2-(m-tolyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]butyramide Formula: C19H18ClN3O2S MolecularWeight: 387.88312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)CCCCl

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)CCCCl

InChI

InChI=1S/C19H18ClN3O2S/c1-12-4-2-5-13(10-12)18-22-15-11-14(7-8-16(15)25-18)21-19(26)23-17(24)6-3-9-20/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H2,21,23,24,26)